SCHEMBL3281983

SCHEMBL3281983

CCc1c(C(=O)O)[nH]c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 5/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
STAT1 P42224 1/20 0.43
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
EP300 Q09472 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3285075 0.85 NPSR1 (0.44) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL891106 0.83 NPSR1 (0.54) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL4470793 0.82 CYP1A2 (0.43) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL9748797 0.80 CYP1A2 (0.41) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL1919419 0.80 CYP1A2 (0.41) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL3156800 0.80 CYP1A2 (0.54) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL2761841 0.80 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1NPSR1
SCHEMBL4205954 0.79 CYP1A2 (0.76) RAB9APOLBATMCYP1A2CYP2C9
SCHEMBL27405249 0.79 BRD4 (0.68) RAB9APOLBCYP1A2ALDH1A1NPSR1
SCHEMBL10232133 0.78 LMNA (0.43) RAB9APOLBATMCYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906550-B2 Viricide against hepatitis virus; pyrrole derivatives as, for example, 3-acetyl-4,5-dimethyl-2-pyrrole carboxylic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2008-05-29 US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
CN-1829507-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2006-09-06 CN disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1613620-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-01-11 EP disclosed
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-04-14 US disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2004092161-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 RAB9A 961/4885POLB 127/4885ATM 4474/4885
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 RAB9A 2568/4885POLB 3080/4885ATM 3577/4885
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease HPN, PRSS1, SERPINB1 RAB9A 2884/4885POLB 3674/4885ATM 4191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.